N-(1-(5-Chloro-2,3-dimethoxyphenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)aniline hydrochloride CAS 903580-39-2
| CAS No. | 903580-39-2 |
| Molecular Formula | C21H28ClN3O4S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(1-(5-Chloro-2,3-dimethoxyphenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)aniline hydrochloride (C21H28ClN3O4SHCl) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
N-(1-(5-Chloro-2,3-dimethoxyphenyl)ethyl)-2-(methylsulfonyl)-5-(piperazin-1-yl)aniline hydrochloride (CAS 903580-39-2), molecular formula C21H28ClN3O4SHCl and molecular weight 490.44 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C21H28ClN3O4S HCl |
| Molecular Weight | 490.44 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- N-(4-(4,6-Dichloropyrimidin-2-yl)phenyl)benzamide (CAS 89508-37-2)
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- 2-Amino-5-bromo-4-methylbenzoic acid (CAS 106976-24-3)
- (S)-4-Methyl-2-(3-oxobenzo[d]isothiazol-2(3h)-yl)pentanoic acid (CAS 1212136-21-4)
- 4-(Aziridin-1-yl)-6-chlorocinnoline (CAS 68211-04-1)
- (S)-2-Isobutylpiperazine (CAS 106576-37-8)
- Ethyl 2-amino-2-(pyridin-3-yl)acetate (CAS 138891-55-1)
- Bis((1H-benzo[d][1,2,3]triazol-1-yl)methyl)sulfane (CAS 187798-49-8)
- Methyl 2-((4-chloropyridin-2-yl)oxy)acetate (CAS 1346707-65-0)
- Des-Trp25-Tirzepatide (CAS CATO-CPTD788948)
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